CID 3061939

2-((2-propylpentyl)imino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C21H25Cl2NO
SMILES
CCCC(CCC)CN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C21H25Cl2NO/c1-3-7-15(8-4-2)14-24-21(17-9-5-6-10-19(17)23)18-13-16(22)11-12-20(18)25/h5-6,9-13,15,25H,3-4,7-8,14H2,1-2H3
InChIKey
KEYAVWRHEIWGMR-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-(2-propylpentyl)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13132 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13860 190.7
[M+Na]+ 400.12054 197.2
[M-H]- 376.12404 195.9
[M+NH4]+ 395.16514 204.0
[M+K]+ 416.09448 189.5
[M+H-H2O]+ 360.12858 183.8
[M+HCOO]- 422.12952 202.6
[M+CH3COO]- 436.14517 221.1
[M+Na-2H]- 398.10599 189.5
[M]+ 377.13077 195.8
[M]- 377.13187 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.